1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane

C14H22 — CID 12567931

IUPAC1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
SMILESCCCCC1(C(=C2CC2)C2CC2)CC1
InChIInChI=1S/C14H22/c1-2-3-8-14(9-10-14)13(11-4-5-11)12-6-7-12/h11H,2-10H2,1H3
InChIKeySXAKNCSFHKWMEX-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.46
Rot. Bonds5

About 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane

1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane (PubChem CID 12567931) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane.

Molecular Properties

Compound Name1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
PubChem CID12567931
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
SMILESCCCCC1(C(=C2CC2)C2CC2)CC1
InChIInChI=1S/C14H22/c1-2-3-8-14(9-10-14)13(11-4-5-11)12-6-7-12/h11H,2-10H2,1H3
InChIKeySXAKNCSFHKWMEX-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane?
The IUPAC name of 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane (CID 12567931) is 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane.
What is the SMILES notation for 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane?
The canonical SMILES for 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane is CCCCC1(C(=C2CC2)C2CC2)CC1.
What is the InChIKey of 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane?
The InChIKey is SXAKNCSFHKWMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-8-14(9-10-14)13(11-4-5-11)12-6-7-12/h11H,2-10H2,1H3.
What are the key properties of 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane?
1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane has a molecular weight of 190.33 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane is sourced from PubChem (CID 12567931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).